Fig. 4.

Putative best docking pose (a) and 2D protein–ligand interaction diagram (b) at the active site of main protease M^pro for lauruside 5. Proximity of functional groups of the laurel glycoside to Ser46, Asn142, Glu166 protein residues is observed in the pose view (a), while main interactions, including H-bonds with amino acids Ser46, Gln189, His163, Asn142, Glu166, are evidenced in the diagram (b). Note the highly stabilized nature of the predicted lauruside-protease complex due to the multiple H-bonding possibilities given by the interactions of the compound hydroxyl moieties with the protein amino acids